SCHEMBL4454827

SCHEMBL4454827

Cc1cc(C2C(C)OC(=O)N2C)ccc1-c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.39
MAOB P27338 3/20 0.36
PDE3B Q13370 2/20 0.36
PDE3A Q14432 2/20 0.36
MAOA P21397 1/20 0.36
HSD17B10 Q99714 1/20 0.35
EPHX1 P07099 1/20 0.34
KCNA3 P22001 1/20 0.34
BRD4 O60885 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HSD17B2 P37059 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
OXTR P30559 2/20 0.32
AVPR1A P37288 2/20 0.32
AVPR2 P30518 1/20 0.32
AVPR1B P47901 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4447352 0.86 GRM2 (0.37) HSD17B10KDM4EMEN1KMT2A
SCHEMBL4458127 0.86 GRM2 (0.38) PDE3BPDE3AHSD17B10BACE1MEN1
SCHEMBL4469790 0.85 PTGDR2 (0.35) PDE3BPDE3AHSD17B10KDM4EPDE4A
SCHEMBL4445385 0.85 PGR (0.40) HSD17B10KDM4EMEN1KMT2A
SCHEMBL4455586 0.84 BACE1 (0.40) MAOBMAOABRD4BACE1MEN1
SCHEMBL4453552 0.83 BRD4 (0.35) HSD17B10BRD4
SCHEMBL4474719 0.83 PDE3B (0.39) PDE3BPDE3A
SCHEMBL4460630 0.82 GRM2 (0.41) HSD17B10KDM4EADORA3ADORA2AADORA1
SCHEMBL4445299 0.82 ALDH1A1 (0.39) HSD17B10HSD17B2MEN1KMT2A
SCHEMBL4472192 0.81 GRM2 (0.35) PDE3BPDE3A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090137577-A1 HETEROCYCLIC COMPOUNDS PFIZER INC. 2009-05-28 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090137577-A1 HETEROCYCLIC COMPOUNDS CYP2D6, ABCG2, CYP2B6 ESR2 2810/4885MAOB 106/4885PDE3B 59/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.